List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
399188 |
135038568 |
1 |
ISZnH2C4 |
ABCD2E4 |
-54.28 |
17.23 |
0.0 |
0.0 |
0 |
|
|
399189 |
135038583 |
1 |
OS2C12H16 |
AB2C12D16 |
-8.2 |
5.16 |
-8.33 |
0.26 |
0 |
|
|
399190 |
135038590 |
2 |
ON2C7H12 |
AB2C7D12 |
-73.45 |
6.95 |
-9.84 |
0.16 |
0 |
|
|
399191 |
135038593 |
1 |
OC14H16 |
AB14C16 |
-4.57 |
2.77 |
-9.61 |
-0.01 |
0 |
|
|
399192 |
135038599 |
1 |
O2C11H14 |
A2B11C14 |
-86.25 |
2.21 |
-9.95 |
-0.42 |
0 |
|
|
399193 |
135038600 |
1 |
OC14H16 |
AB14C16 |
17.27 |
2.15 |
-9.32 |
-0.26 |
0 |
|
|
399194 |
135038603 |
1 |
Cl2H4N5C6 |
A2B4C5D6 |
116.56 |
2.38 |
0.0 |
0.0 |
0 |
|
|
399195 |
135038619 |
1 |
NOC12H17 |
ABC12D17 |
-41.27 |
4.96 |
-8.1 |
0.3 |
1 |
|
|
399196 |
135038622 |
1 |
IO5C11H14 |
AB5C11D14 |
-188.01 |
2.86 |
0.0 |
0.0 |
0 |
|
|
399197 |
135038623 |
1 |
C13H20 |
A13B20 |
9.39 |
0.65 |
-8.88 |
0.71 |
0 |
|
|
399198 |
135038624 |
1 |
O5C12H20 |
A5B12C20 |
-246.51 |
7.17 |
-10.02 |
0.57 |
0 |
|
|
399199 |
135038628 |
1 |
O7C13H20 |
A7B13C20 |
-322.52 |
5.22 |
-10.62 |
0.76 |
1 |
|
|
399200 |
135038630 |
5 |
C3H5 |
A3B5 |
-29.27 |
0.32 |
0.0 |
0.0 |
0 |
|
|
399201 |
135038646 |
1 |
O5C14H20 |
A5B14C20 |
-232.94 |
2.26 |
-10.36 |
0.01 |
0 |
|
|
399202 |
135038648 |
2 |
C6H7 |
A6B7 |
46.33 |
0.22 |
-9.35 |
0.4 |
0 |
|
|
399203 |
135038655 |
2 |
OC7H10 |
AB7C10 |
-94.36 |
3.55 |
-8.92 |
0.0 |
0 |
|
|
399204 |
135038680 |
1 |
O4C15H26 |
A4B15C26 |
-210.16 |
2.07 |
-9.9 |
0.12 |
0 |
|
|
399206 |
135038725 |
1 |
O3C14H22 |
A3B14C22 |
-165.84 |
2.77 |
-9.91 |
0.7 |
0 |
|
|
399208 |
135038734 |
1 |
ClN4H11C13 |
AB4C11D13 |
66.09 |
3.77 |
-8.75 |
-0.68 |
0 |
|
|
399209 |
135038744 |
1 |
NO2C11H21 |
AB2C11D21 |
-119.35 |
2.24 |
-9.82 |
0.92 |
0 |
|
|
399210 |
135038749 |
1 |
PSBr3O3C10H12 |
ABC3D3E10F12 |
-175.52 |
3.74 |
-9.5 |
-0.97 |
0 |
|
|
399211 |
135038751 |
1 |
OC14H22 |
AB14C22 |
-15.28 |
2.75 |
-9.89 |
1.25 |
0 |
|
|
399212 |
135038752 |
1 |
NOC16H19 |
ABC16D19 |
-21.97 |
5.61 |
-8.74 |
0.1 |
0 |
|
|
399213 |
135038756 |
1 |
NO3H11C14 |
AB3C11D14 |
-65.42 |
1.23 |
-9.32 |
-1.77 |
0 |
|
|
399214 |
135038761 |
1 |
OSC11H20 |
ABC11D20 |
-84.25 |
3.33 |
-8.68 |
0.68 |
0 |
|
|
399215 |
135038781 |
2 |
O2C6H7 |
A2B6C7 |
-151.43 |
4.66 |
-9.96 |
-0.85 |
0 |
|
|
399216 |
135038806 |
4 |
OC2H4 |
AB2C4 |
-205.81 |
4.77 |
-10.61 |
0.61 |
0 |
|
|
399217 |
135038830 |
1 |
ISN2C15H15 |
ABC2D15E15 |
70.98 |
3.56 |
-8.58 |
-1.08 |
0 |
|
|
399218 |
135038832 |
1 |
NO2C13H27 |
AB2C13D27 |
-133.09 |
3.31 |
-8.67 |
2.06 |
0 |
|
|
399219 |
135038836 |
1 |
BrNC17H32 |
ABC17D32 |
-47.73 |
3.2 |
-8.85 |
0.12 |
0 |
|
|
399220 |
135038845 |
2 |
O3C7H10 |
A3B7C10 |
-268.32 |
2.42 |
-9.38 |
-0.7 |
0 |
|
|
399221 |
135038849 |
1 |
SN3C8H19 |
AB3C8D19 |
0.0 |
5.44 |
-8.56 |
0.92 |
0 |
|
|
399222 |
135038855 |
1 |
SN2O2C9H10 |
AB2C2D9E10 |
-57.63 |
3.13 |
-8.99 |
-1.05 |
0 |
|
|
399223 |
135038876 |
1 |
BrClC17H20 |
ABC17D20 |
12.13 |
3.12 |
-9.07 |
-0.3 |
1 |
|
|
399224 |
135038907 |
1 |
NC8H14 |
AB8C14 |
9.62 |
2.31 |
0.0 |
0.0 |
0 |
|
|
399225 |
135038910 |
1 |
FNO3H10C13 |
ABC3D10E13 |
-117.97 |
6.88 |
-9.26 |
-0.87 |
0 |
|
|
399226 |
135038921 |
2 |
LiH8C9 |
AB8C9 |
159.7 |
16.96 |
-5.18 |
-1.18 |
0 |
|
|
399227 |
135038926 |
1 |
NOH13C17 |
ABC13D17 |
51.7 |
4.46 |
-8.71 |
-0.92 |
0 |
|
|
399228 |
135038928 |
1 |
O2N3C12H15 |
A2B3C12D15 |
-34.62 |
6.16 |
-8.68 |
0.32 |
0 |
|
|
399229 |
135038929 |
1 |
SN2H12C14 |
AB2C12D14 |
70.12 |
1.78 |
-8.55 |
-0.45 |
0 |
|
|
399230 |
135038936 |
1 |
O2C14H25 |
A2B14C25 |
-100.41 |
3.32 |
0.0 |
0.0 |
0 |
|
|
399231 |
135038961 |
6 |
OC2H4 |
AB2C4 |
-267.43 |
2.08 |
-9.84 |
0.75 |
0 |
|
|
399232 |
135038962 |
2 |
C4H7 |
A4B7 |
-16.97 |
0.12 |
-10.6 |
3.82 |
0 |
|
|
399233 |
135038968 |
1 |
FNSO4H8C11 |
ABCD4E8F11 |
-150.17 |
8.78 |
-9.63 |
-1.24 |
0 |
|
|
399234 |
135038975 |
1 |
SN2O2C12H14 |
AB2C2D12E14 |
-27.52 |
3.39 |
-8.49 |
-0.33 |
0 |
|
|
399235 |
135038978 |
1 |
O5C15H22 |
A5B15C22 |
-218.83 |
1.26 |
-9.7 |
-0.02 |
0 |
|
|
399236 |
135038985 |
1 |
NOC12H19 |
ABC12D19 |
-74.4 |
4.77 |
-9.37 |
1.12 |
0 |
|
|
399237 |
135038988 |
1 |
NPC3O3H4 |
ABC3D3E4 |
-122.87 |
5.96 |
-10.16 |
-0.3 |
0 |
|
|
399238 |
135038990 |
1 |
ClO2C12H13 |
AB2C12D13 |
-17.98 |
2.66 |
-9.63 |
-0.07 |
0 |
|
|
399239 |
135039036 |
1 |
NO2C17H23 |
AB2C17D23 |
-49.84 |
3.09 |
-9.08 |
0.47 |
0 |